In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2011 | 23 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -1.22 | -0.51 | -108.27 | 9 | 9 | 2 | 159 | 326.401 | 9 | ↓ |
Hi High (pH 8-9.5) | -1.22 | -2.23 | -15.55 | 7 | 9 | 0 | 156 | 324.385 | 9 | ↓ |
Mid Mid (pH 6-8) | -1.22 | -0.97 | -52.96 | 8 | 9 | 1 | 158 | 325.393 | 9 | ↓ |